N-(2-methoxyethyl)-2-(morpholin-2-yl)-N-(pyridin-4-ylmethyl)acetamide

• ChemBase ID: 848163
• Molecular Formular: C15H23N3O3
• Molecular Mass: 293.36142
• Monoisotopic Mass: 293.17394161
• SMILES: C(=O)(CC1OCCNC1)N(Cc1ccncc1)CCOC
• Canonical SMILES: COCCN(C(=O)CC1CNCCO1)Cc1ccncc1
• InChI: InChI=1S/C15H23N3O3/c1-20-9-7-18(12-13-2-4-16-5-3-13)15(19)10-14-11-17-6-8-21-14/h2-5,14,17H,6-12H2,1H3
• InChIKey: BYUINTNIZIJBSS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-(morpholin-2-yl)-N-(pyridin-4-ylmethyl)acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-(morpholin-2-yl)-N-(pyridin-4-ylmethyl)acetamide
• Synonyms: N-(2-methoxyethyl)-2-morpholin-2-yl-N-(pyridin-4-ylmethyl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.412681
• LogD (pH = 7.4): -1.6158677
• Log P: -0.5363811
• Molar Refractivity: 79.3369 cm^3
• Polarizability: 31.24607 Å^3
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.25
• LOG S: -0.28
• Polar Surface Area: 63.69 Å^2
• Rotatable Bonds: 7